SCHEMBL7972343

SCHEMBL7972343

Cn1c(COC(=O)Nc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENO1 P06733 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CXCR4 P61073 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ROCK2 O75116 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7560664 0.87 ALDH1A1 (0.39) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7608786 0.85 ENO1 (0.44) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7604170 0.79 HTR2A (0.51) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7556391 0.79 ENO1 (0.42) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7559753 0.78 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7557486 0.78 CA12 (0.42) ENO1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL16358394 0.74 ENO1 (0.52) ENO1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL7520078 0.73 KMT2A (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16358054 0.72 ENO1 (0.49) ENO1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL29071595 0.72 ENO1 (0.53) ENO1ALDH1A1MAPTSMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 — — WO disclosed
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